(1E)-1-N-ethyl-1-N,3-dimethylbuta-1,3-diene-1,2-diamine

C8H16N2 — CID 155281370

IUPAC(1E)-1-N-ethyl-1-N,3-dimethylbuta-1,3-diene-1,2-diamine
SMILESC=C(C)/C(N)=C\N(C)CC
InChIInChI=1S/C8H16N2/c1-5-10(4)6-8(9)7(2)3/h6H,2,5,9H2,1,3-4H3/b8-6+
InChIKeyJRQPHLJOUDFSPN-SOFGYWHQSA-N
MW140.23 g/mol
LogP1.31
Rot. Bonds3

About (1E)-1-N-ethyl-1-N,3-dimethylbuta-1,3-diene-1,2-diamine

(1E)-1-N-ethyl-1-N,3-dimethylbuta-1,3-diene-1,2-diamine (PubChem CID 155281370) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (1E)-1-N-ethyl-1-N,3-dimethylbuta-1,3-diene-1,2-diamine.

Molecular Properties

Compound Name(1E)-1-N-ethyl-1-N,3-dimethylbuta-1,3-diene-1,2-diamine
PubChem CID155281370
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(1E)-1-N-ethyl-1-N,3-dimethylbuta-1,3-diene-1,2-diamine
SMILESC=C(C)/C(N)=C\N(C)CC
InChIInChI=1S/C8H16N2/c1-5-10(4)6-8(9)7(2)3/h6H,2,5,9H2,1,3-4H3/b8-6+
InChIKeyJRQPHLJOUDFSPN-SOFGYWHQSA-N
XLogP1.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-N-ethyl-1-N,3-dimethylbuta-1,3-diene-1,2-diamine?
The IUPAC name of (1E)-1-N-ethyl-1-N,3-dimethylbuta-1,3-diene-1,2-diamine (CID 155281370) is (1E)-1-N-ethyl-1-N,3-dimethylbuta-1,3-diene-1,2-diamine.
What is the SMILES notation for (1E)-1-N-ethyl-1-N,3-dimethylbuta-1,3-diene-1,2-diamine?
The canonical SMILES for (1E)-1-N-ethyl-1-N,3-dimethylbuta-1,3-diene-1,2-diamine is C=C(C)/C(N)=C\N(C)CC.
What is the InChIKey of (1E)-1-N-ethyl-1-N,3-dimethylbuta-1,3-diene-1,2-diamine?
The InChIKey is JRQPHLJOUDFSPN-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H16N2/c1-5-10(4)6-8(9)7(2)3/h6H,2,5,9H2,1,3-4H3/b8-6+.
What are the key properties of (1E)-1-N-ethyl-1-N,3-dimethylbuta-1,3-diene-1,2-diamine?
(1E)-1-N-ethyl-1-N,3-dimethylbuta-1,3-diene-1,2-diamine has a molecular weight of 140.23 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-N-ethyl-1-N,3-dimethylbuta-1,3-diene-1,2-diamine is sourced from PubChem (CID 155281370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).